3-(oxiran-2-ylmethylamino)propan-1-ol

C6H13NO2 — CID 89390680

IUPAC3-(oxiran-2-ylmethylamino)propan-1-ol
SMILESOCCCNCC1CO1
InChIInChI=1S/C6H13NO2/c8-3-1-2-7-4-6-5-9-6/h6-8H,1-5H2
InChIKeyPSHTYIALPQYYDX-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.64
Rot. Bonds5

About 3-(oxiran-2-ylmethylamino)propan-1-ol

3-(oxiran-2-ylmethylamino)propan-1-ol (PubChem CID 89390680) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 3-(oxiran-2-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(oxiran-2-ylmethylamino)propan-1-ol
PubChem CID89390680
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name3-(oxiran-2-ylmethylamino)propan-1-ol
SMILESOCCCNCC1CO1
InChIInChI=1S/C6H13NO2/c8-3-1-2-7-4-6-5-9-6/h6-8H,1-5H2
InChIKeyPSHTYIALPQYYDX-UHFFFAOYSA-N
XLogP-0.64
TPSA44.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-(oxiran-2-ylmethylamino)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(oxiran-2-ylmethylamino)propan-1-ol?
The IUPAC name of 3-(oxiran-2-ylmethylamino)propan-1-ol (CID 89390680) is 3-(oxiran-2-ylmethylamino)propan-1-ol.
What is the SMILES notation for 3-(oxiran-2-ylmethylamino)propan-1-ol?
The canonical SMILES for 3-(oxiran-2-ylmethylamino)propan-1-ol is OCCCNCC1CO1.
What is the InChIKey of 3-(oxiran-2-ylmethylamino)propan-1-ol?
The InChIKey is PSHTYIALPQYYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c8-3-1-2-7-4-6-5-9-6/h6-8H,1-5H2.
What are the key properties of 3-(oxiran-2-ylmethylamino)propan-1-ol?
3-(oxiran-2-ylmethylamino)propan-1-ol has a molecular weight of 131.18 g/mol, XLogP of -0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxiran-2-ylmethylamino)propan-1-ol is sourced from PubChem (CID 89390680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).